X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.8 298 14% PEG 3350, 50 mM bis-TRIS propane, 0.1 M Mg-formate , pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 84.210 Å b: 145.890 Å c: 89.850 Å α: 90.00° β: 103.42° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.27 Solvent Content: 45.82
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 1.69 43.70 116811 5862 99.42 0.1810 0.1959 27.66
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.69 50 99.4 0.113 0.095 8.1 3.5 116904 116904 0 0 20.46
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.69 1.75 99.5 ? ? 2 3.5 11432
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID29 0.97625 ESRF ID29
Software
Software Name Purpose Version
MOLREP phasing .
BUSTER refinement 2.11.2
XDS data reduction .
SCALA data scaling .
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